1,1,1-Trifluoromethanesulfonamide

CH2F3NO2SCAS 421-85-2149.09 g/mol

Open in Covalent MOL file
H2NSOOFFF
Alkyl halideSulfonamide

Properties

Molecular formula
CH2F3NO2S
Molar mass
149.09 g/mol
Exact mass
148.9758 Da
Melting point
117–119 °C
logP
-0.21Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
421-85-2
SMILES
NS(=O)(=O)C(F)(F)F
InChIKey
KAKQVSNHTBLJCH-UHFFFAOYSA-N
InChI
InChI=1S/CH2F3NO2S/c2-1(3,4)8(5,6)7/h(H2,5,6,7)

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Names and synonyms

3 names
  • Methanesulfonamide, 1,1,1-trifluoro-
  • Trifluoromethanesulfonamide
  • Trifluoromethylsulfonamide

Work with 1,1,1-Trifluoromethanesulfonamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butylsulfonamide34813-49-543 % similar Perfluorooctanesulfonamide754-91-641 % similar Trifluoromethanesulfonyl fluoride335-05-738 % similar Nickel(II) trifluoromethanesulfonate60871-84-338 % similar 1-Methylcyclopropanesulfonamide669008-26-838 % similar Triflic acid1493-13-636 % similar Trifluoromethanesulfonic anhydride358-23-636 % similar Trifluoromethanesulfonyl chloride421-83-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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